| Properties | Image |
|---|
| MNX_ID | MNXM101355 |
 |
| reference | chebi:69820 |
| formula | C36H58O6 |
| global charge | 0 |
| mol weight | 586.854 |
| InChIKey | QUVRUINWOFZNJL-IEIRSVMLSA-N |
| InChI | InChI=1S/C36H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(38)42-35-22-26(3)36(41)28(31(35)33(35,4)5)21-27(24-37)23-34(40)29(36)20-25(2)32(34)39/h20-21,26,28-29,31,37,40-41H,6-19,22-24H2,1-5H3/t26-,28+,29-,31-,34-,35+,36-/m1/s1 |
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C |
MNX internals
| InChI (mnx) | InChI=1/C36H58O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(38)42-35-22-26(3)36(41)28(31(35)33(35,4)5)21-27(24-37)23-34(40)29(36)20-25(2)32(34)39/h20-21,26,28-29,31,37,40-41H,6-19,22-24H2,1-5H3/t26-,28+,29-,31-,34-,35+,36-/m1/s1 |
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| SMILES (mnx) | [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:30](=[O:38])[O:42][C@@:35]12[CH2:22][C@@H:26]([CH3:3])[C@@:36]3([OH:41])[C@@H:28]([CH:21]=[C:27]([CH2:24][OH:37])[CH2:23][C@@:34]4([OH:40])[C@H:29]3[CH:20]=[C:25]([CH3:2])[C:32]4=[O:39])[C@@H:31]1[C:33]2([CH3:4])[CH3:5] |
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